3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide

C16H25N3O2S — CID 70420220

IUPAC3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide
SMILESCN(C)CCc1cn(C)c2ccc(CCCS(N)(=O)=O)cc12
InChIInChI=1S/C16H25N3O2S/c1-18(2)9-8-14-12-19(3)16-7-6-13(11-15(14)16)5-4-10-22(17,20)21/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,17,20,21)
InChIKeyABZUMQDDVNZJCL-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.50
Rot. Bonds7

About 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide

3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide (PubChem CID 70420220) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide
PubChem CID70420220
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide
SMILESCN(C)CCc1cn(C)c2ccc(CCCS(N)(=O)=O)cc12
InChIInChI=1S/C16H25N3O2S/c1-18(2)9-8-14-12-19(3)16-7-6-13(11-15(14)16)5-4-10-22(17,20)21/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,17,20,21)
InChIKeyABZUMQDDVNZJCL-UHFFFAOYSA-N
XLogP1.50
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
[3-(3-iodopropyl)-1-methylindol-5-yl]methanesulfonamide
CID 67808139
4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline
CID 122367887
[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide
CID 70378763
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
N,N-dimethyl-2-(1-methyl-5-morpholin-4-ylindol-3-yl)ethanamine
CID 176799532
2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide
CID 67869137
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
2-[1-tert-butyl-5-(pyrrolidin-1-ylsulfonylmethyl)indol-3-yl]-N,N-dimethylethanamine
CID 59825321
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
CID 83985061
methyl 3-[2-(dimethylamino)ethyl]-5-(methylsulfamoylmethyl)indole-1-carboxylate;oxalic acid
CID 19735999

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide (CID 70420220) is 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide is CN(C)CCc1cn(C)c2ccc(CCCS(N)(=O)=O)cc12.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide?
The InChIKey is ABZUMQDDVNZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-18(2)9-8-14-12-19(3)16-7-6-13(11-15(14)16)5-4-10-22(17,20)21/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,17,20,21).
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide?
3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide has a molecular weight of 323.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 70420220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).